Information card for entry 7704880

Structure parameters

• Formula: C34 H32 F6 Ir N6 O2 P
• Calculated formula: C34 H32 F6 Ir N6 O2 P
• SMILES: [Ir]1234(Oc5c(C=[N]2N(c2[n]1cccc2)C)cc(OC)cc5)[n]1ccccc1c1c4c(c(cc1C)C)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.
• Authors of publication: Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10463 - 10476
• a: 11.4532 ± 0.0005 Å
• b: 15.8034 ± 0.0007 Å
• c: 18.1543 ± 0.0008 Å
• α: 90°
• β: 95.0909 ± 0.0016°
• γ: 90°
• Cell volume: 3273 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No